2-[1-(1,3-benzothiazol-2-yl)-3,5-dimethyl-pyrazol-4-yl]ethanoic acid

Systemtic Name: 2-[1-(1,3-benzothiazol-2-yl)-3,5-dimethyl-pyrazol-4-yl]ethanoic acid Openeye Name: 2-[1-(1,3-benzothiazol-2-yl)-3,5-dimethyl-pyrazol-4-yl]acetic acid CAS Name: 2-[1-(1,3-benzothiazol-2-yl)-3,5-dimethyl-4-pyrazolyl]acetic acid IUPAC Name: 2-[1-(1,3-benzothiazol-2-yl)-3,5-dimethylpyrazol-4-yl]acetic acid Traditional Name: 2-[1-(1,3-benzothiazol-2-yl)-3,5-dimethyl-pyrazol-4-yl]acetic acid Formula: C14H13N3O2S MolecularWeight: 287.33692

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=NC3=CC=CC=C3S2)C)CC(=O)O

Isomeric SMILES

CC1=C(C(=NN1C2=NC3=CC=CC=C3S2)C)CC(=O)O

InChI

InChI=1S/C14H13N3O2S/c1-8-10(7-13(18)19)9(2)17(16-8)14-15-11-5-3-4-6-12(11)20-14/h3-6H,7H2,1-2H3,(H,18,19)